SCHEMBL9257556

SCHEMBL9257556

CCCCCCCCOc1ccc(C(=O)Oc2ccc(CCCCOC(C)CCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 4/20 0.57
NPC1 O15118 3/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 4/20 0.50
POLB P06746 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.48
PLA2G4B P0C869 1/20 0.48
THRA P10827 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9260294 0.96 NPC1 (0.57) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9398464 0.92 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9396960 0.91 NPC1 (0.57) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL21084486 0.89 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9855583 0.89 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL12299687 0.89 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL13325825 0.89 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL21084423 0.89 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL21124189 0.89 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL4171854 0.89 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed